(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide

C32H24Cl2N4O2 — CID 177408764

IUPAC(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C32H24Cl2N4O2/c33-21-13-9-19(10-14-21)17-35-37-31(39)29-27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)30(29)32(40)38-36-18-20-11-15-22(34)16-12-20/h1-18,27-30H,(H,37,39)(H,38,40)/b35-17+,36-18+/t27?,28?,29-,30-/m1/s1
InChIKeyDUURQKITCIQMOR-GNBNHAPISA-N
MW567.48 g/mol
LogP6.12
Rot. Bonds6

About (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide

(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide (PubChem CID 177408764) has the molecular formula C32H24Cl2N4O2 and a molecular weight of 567.48 g/mol. Its IUPAC name is (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide.

Molecular Properties

Compound Name(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
PubChem CID177408764
Molecular FormulaC32H24Cl2N4O2
Molecular Weight567.48 g/mol
Exact Mass566.13
IUPAC Name(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C32H24Cl2N4O2/c33-21-13-9-19(10-14-21)17-35-37-31(39)29-27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)30(29)32(40)38-36-18-20-11-15-22(34)16-12-20/h1-18,27-30H,(H,37,39)(H,38,40)/b35-17+,36-18+/t27?,28?,29-,30-/m1/s1
InChIKeyDUURQKITCIQMOR-GNBNHAPISA-N
XLogP6.12
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide with MolForge

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Related Compounds

N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
(2R,3R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92945651
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
1-(2-chlorobenzoyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]piperidine-4-carboxamide
CID 126013246
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
2,2-bis(4-chlorophenyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135627948
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292

Frequently Asked Questions

What is the IUPAC name of (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide?
The IUPAC name of (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide (CID 177408764) is (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide.
What is the SMILES notation for (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide?
The canonical SMILES for (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide is O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide?
The InChIKey is DUURQKITCIQMOR-GNBNHAPISA-N. The full InChI is InChI=1S/C32H24Cl2N4O2/c33-21-13-9-19(10-14-21)17-35-37-31(39)29-27-23-5-1-2-6-24(23)28(26-8-4-3-7-25(26)27)30(29)32(40)38-36-18-20-11-15-22(34)16-12-20/h1-18,27-30H,(H,37,39)(H,38,40)/b35-17+,36-18+/t27?,28?,29-,30-/m1/s1.
What are the key properties of (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide?
(15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide has a molecular weight of 567.48 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16R)-15-N,16-N-bis[(E)-(4-chlorophenyl)methylideneamino]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide is sourced from PubChem (CID 177408764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).